Geometry & MOs

Info

ID:	441507
PubChem CID:	135235535
Reduced:	N2O6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	1193.473568
ΔH_f, kcal/mol:	-159.18
Dipole, Da:	6.89
IP(EA), eV:	-9.47(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[6-(diphenylcarbamoyloxy)-2-(2-methylpropanoylamino)purin-9-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-(carboxyamino)methyl]carbamic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CN2[C@H]3[C@H]([C@@H]([C@@](O3)(CO)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OC2=NC1=O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CN2[C@H]3[C@H]([C@@H]([C@@](O3)(CO)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OC2=NC1=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):